General Information of the Compound
| Compound ID |
CP0375102
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| Compound Name |
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
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| Structure |
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| Formula |
C25H30F3N3O2
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| Molecular Weight |
461.528
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNC(=O)\C=C\c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C25H30F3N3O2/c1-33-23-7-3-2-6-22(23)31-18-16-30(17-19-31)15-5-4-14-29-24(32)13-10-20-8-11-21(12-9-20)25(26,27)28/h2-3,6-13H,4-5,14-19H2,1H3,(H,29,32)/b13-10+
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| InChIKey |
SJUYCGYJRSRZHG-JLHYYAGUSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor